Geometry & MOs

Info

ID:	127210
PubChem CID:	50994508
Reduced:	BrN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	381.97198
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	2.52
IP(EA), eV:	-8.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-bromo-5-(2-chloro-6-methylpyridine-4-carbonyl)phenyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC1=CC(=CC(=C1)C(=O)C2=CC(=NC=C2)N3CCOCC3)Br

DOS

IR

Vibrations