Geometry & MOs

Info

ID:	38353
PubChem CID:	8032113
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	2.24
Dipole, Da:	4.84
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N2CCCC[C@@H]2C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations