Geometry & MOs

Info

ID:	383013
PubChem CID:	134974500
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-100.32
Dipole, Da:	2.63
IP(EA), eV:	-8.87(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-2-cyanobutanoate

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\C1=CC=C(C=C1)O)/C(=O)NCCN(C)C

DOS

IR

Vibrations