Geometry & MOs

Info

ID:	426219
PubChem CID:	135142694
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	393.289246
ΔH_f, kcal/mol:	-28.74
Dipole, Da:	2.55
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3aE,8Z,10Z)-10-methyl-2-prop-2-enyl-6,7-dihydro-5H-imidazo[4,5-e][1,3]diazonin-1-yl]-1-methyl-4-propylcyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

C1CC2(CCC1(C2)CO)NC(=O)CC3=NC4=C5C=CNC5=NC=C4N3

DOS

IR

Vibrations