Geometry & MOs

Info

ID:	281558
PubChem CID:	103914043
Reduced:	BrO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	225.184112
ΔH_f, kcal/mol:	-77.54
Dipole, Da:	4.71
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyano-4-methylpentyl)amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(=O)NC1=CC=CC=C1Br

DOS

IR

Vibrations