Geometry & MOs

Info

ID:	281689
PubChem CID:	103914222
Reduced:	O2N3C12H25 (1)
Stoich.:	A2B3C12D25 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-127.66
Dipole, Da:	5.38
IP(EA), eV:	-9.79(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)CNC(C(C)C)C(=O)N

DOS

IR

Vibrations