Geometry & MOs

Info

ID:	151682
PubChem CID:	56261110
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	6.99
IP(EA), eV:	-8.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[3-(3-methylbutanoylamino)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)OC)C(C)C

DOS

IR

Vibrations