Geometry & MOs

Info

ID:	194305
PubChem CID:	78513275
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	404.07356
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	3.01
IP(EA), eV:	-9.03(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC#N)NC(=O)NC1=CC=CC=C1

DOS

IR

Vibrations