Geometry & MOs

Info

ID:	207889
PubChem CID:	80465686
Reduced:	SN2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	26.15
Dipole, Da:	1.53
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(aminomethyl)phenyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CC2)C)CCN

DOS

IR

Vibrations