Geometry & MOs

Info

ID:	413070
PubChem CID:	135086014
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	315.9823
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	7.56
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-bromo-5-(trifluoromethyl)phenyl]pyridin-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=C2NC4=CC=CC=C43)C=O

DOS

IR

Vibrations