Geometry & MOs

Info

ID:	275128
PubChem CID:	103813931
Reduced:	BrO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	299.06332
ΔH_f, kcal/mol:	-15.06
Dipole, Da:	7.89
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(6-bromopyridin-3-yl)-4-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1NC(=O)C2=CC=C(O2)CN)Br

DOS

IR

Vibrations