Geometry & MOs

Info

ID:	126708
PubChem CID:	50974454
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	72.22
Dipole, Da:	7.0
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-phenyl-5-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=C(N=CN2CC3=CC(=CC=C3)C(=O)NC)C4=CC=CC=C4

DOS

IR

Vibrations