Geometry & MOs

Info

ID:	257300
PubChem CID:	103145035
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	308.072784
ΔH_f, kcal/mol:	-58.68
Dipole, Da:	6.12
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-3-fluorophenyl)methyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2CCN(CC2)C(=O)N

DOS

IR

Vibrations