Geometry & MOs

Info

ID:	172547
PubChem CID:	75524300
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	385.02375
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	8.08
IP(EA), eV:	-8.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-bromo-4-(difluoromethoxy)phenyl]methylamino]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNC2=CC=CC(=N2)C(=O)NC)OC(C)C(=O)N(C)C

DOS

IR

Vibrations