Geometry & MOs

Info

ID:	252868
PubChem CID:	103114707
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-2.66
Dipole, Da:	6.18
IP(EA), eV:	-8.71(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC(CC1)NCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations