Geometry & MOs

Info

ID:	298976
PubChem CID:	117664944
Reduced:	OSN4C25H30 (1)
Stoich.:	ABC4D25E30 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	17.89
Dipole, Da:	2.96
IP(EA), eV:	-8.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(benzylamino)-8-azabicyclo[3.2.1]octan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC2=NC=CC(=N2)C3=CC=C(S3)C4=CC=C(C=C4)CC=O)C

DOS

IR

Vibrations