Geometry & MOs

Info

ID:	438324
PubChem CID:	135228057
Reduced:	O2N5C27H31 (1)
Stoich.:	A2B5C27D31 (1)
Weight, g/mol:	372.03859
ΔH_f, kcal/mol:	93.52
Dipole, Da:	7.73
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-N-[(3-fluoropyridin-2-yl)-phenylmethyl]pyridine-2,3-diamine

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C(C2=CC=CC=C2)NC3=C(C=CC(=C3)/C(=C(\C)/C(C)C)/N(C)N=C)[N+](=O)[O-]

DOS

IR

Vibrations