Geometry & MOs

Info

ID:	26512
PubChem CID:	650681
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	3.28
IP(EA), eV:	-8.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(cyclopropanecarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)N2CCC(CC2)C(=O)NCC3=CC=CO3)C

DOS

IR

Vibrations