Geometry & MOs

Info

ID:	10656
PubChem CID:	106199
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	7.32
IP(EA), eV:	-8.07(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-cyanoethyl(methyl)amino]-4-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)OC)N(C)CCC#N

DOS

IR

Vibrations