Geometry & MOs

Info

ID:	394834
PubChem CID:	135023910
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	7.29
Dipole, Da:	3.11
IP(EA), eV:	-9.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[benzyl(cyano)carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)C(=O)N(CC2=CC=CC=C2)C#N

DOS

IR

Vibrations