Geometry & MOs

Info

ID:	252858
PubChem CID:	103114655
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	7.56
IP(EA), eV:	-9.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CCCC2CN

DOS

IR

Vibrations