Geometry & MOs

Info

ID:	438238
PubChem CID:	135227932
Reduced:	N3C6H11 (1)
Stoich.:	A3B6C11 (1)
Weight, g/mol:	401.01752
ΔH_f, kcal/mol:	26.23
Dipole, Da:	4.06
IP(EA), eV:	-7.99(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(3-fluoropyridin-2-yl)-phenylmethyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=C(N=CN1C)NC

DOS

IR

Vibrations