Geometry & MOs

Info

ID:	446249
PubChem CID:	135273490
Reduced:	ClO4N6C26H31 (1)
Stoich.:	AB4C6D26E31 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	4.75
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R,6S)-12-(2,2-dimethylpropyl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanol

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCC(CC1)C2=C(C=C3C=NN(C3=C2)C4=CC(=NC(=N4)OC)N5CC6CC5CO6)Cl

DOS

IR

Vibrations