Geometry & MOs

Info

ID:	252903
PubChem CID:	103114871
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	308.072784
ΔH_f, kcal/mol:	-9.68
Dipole, Da:	6.82
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCCN2C=CC=CC2=O

DOS

IR

Vibrations