Geometry & MOs

Info

ID:	252857
PubChem CID:	103114638
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	69.37
Dipole, Da:	7.38
IP(EA), eV:	-9.96(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=CN=NN2C

DOS

IR

Vibrations