Geometry & MOs

Info

ID:	281663
PubChem CID:	103914186
Reduced:	BrON2C8H15 (1)
Stoich.:	ABC2D8E15 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	4.51
IP(EA), eV:	-8.2(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanobutylamino)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(=C)Br

DOS

IR

Vibrations