Geometry & MOs

Info

ID:	326312
PubChem CID:	126687314
Reduced:	N3C19H29 (1)
Stoich.:	A3B19C29 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	18.36
Dipole, Da:	2.66
IP(EA), eV:	-8.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-[(2R)-pentan-2-yl]acetamide

Drug info:

PubChemData

Smile

C/C=C/C(C)C/C(=C(\C)/N)/C(=C\C)/CC1=NC=C(C(=N1)C)C

DOS

IR

Vibrations