Geometry & MOs

Info

ID:	426220
PubChem CID:	135142695
Reduced:	N5C24H35 (1)
Stoich.:	A5B24C35 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	80.33
Dipole, Da:	3.95
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCC1(CCC(CC1)(C)CC#N)N\2C(=N/C/3=C/NCN/C=C\C(=C32)\C)CC=C

DOS

IR

Vibrations