Geometry & MOs

Info

ID:	266297
PubChem CID:	103562447
Reduced:	NSC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-22.19
Dipole, Da:	1.81
IP(EA), eV:	-8.55(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-3-propan-2-ylcyclobutan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1CC(C1)NC2CCSC2

DOS

IR

Vibrations