Geometry & MOs

Info

ID:	258469
PubChem CID:	103154248
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	199.132077
ΔH_f, kcal/mol:	-55.3
Dipole, Da:	4.81
IP(EA), eV:	-9.18(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-cyanoethyl)-3-methoxy-N-methylbutanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=N1)C(=O)CC(CN)OC

DOS

IR

Vibrations