Geometry & MOs

Info

ID:	438283
PubChem CID:	135228014
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	391.05315
ΔH_f, kcal/mol:	53.49
Dipole, Da:	8.35
IP(EA), eV:	-8.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-nitro-N-[oxan-4-yl(phenyl)methyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)N)NC(C3CCOCC3)C4=CC=CC=N4

DOS

IR

Vibrations