Geometry & MOs

Info

ID:	257301
PubChem CID:	103145037
Reduced:	ClFN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	7.52
IP(EA), eV:	-9.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-1-methylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations