Geometry & MOs

Info

ID:	447178
PubChem CID:	135280964
Reduced:	O10N13C30H47 (2)
Stoich.:	A10B13C30D47 (2)
Weight, g/mol:	265.18305
ΔH_f, kcal/mol:	-606.07
Dipole, Da:	16.61
IP(EA), eV:	-7.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methylbutyl)cyclohexa-1,3-dien-1-yl]-3H-indole

Drug info:

Smile

CCC(N(CCN(CC(C)OC(=O)CNC(=O)OCC1=CN(NN1)C)CC(C)OC(=O)C(CCCCNC(=O)OCC2=CN(N=N2)C)NC(=O)OCC3=CN(N=N3)C)CC(C)OC(=O)C(CCCCNC(=O)OCC4=CN(N=N4)C)NC(=O)OCC5=CN(N=N5)C)OC(=O)CNC(=O)OCC6=CN(N=N6)C

DOS

IR

Vibrations