Geometry & MOs

Info

ID:	281696
PubChem CID:	103914231
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-155.34
Dipole, Da:	5.6
IP(EA), eV:	-9.43(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(=O)NC1CCOCC1

DOS

IR

Vibrations