Geometry & MOs

Info

ID:	252503
PubChem CID:	103111823
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	277.061804
ΔH_f, kcal/mol:	59.4
Dipole, Da:	5.24
IP(EA), eV:	-9.16(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=NC(=C(N=N2)C)C

DOS

IR

Vibrations