Geometry & MOs

Info

ID:	280153
PubChem CID:	103847244
Reduced:	BrNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	149.058912
ΔH_f, kcal/mol:	-151.42
Dipole, Da:	3.64
IP(EA), eV:	-9.31(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylimidazol-4-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CC(CCC(=O)O)NC(=O)OCC2=CC=CC=C2)Br

DOS

IR

Vibrations