Geometry & MOs

Info

ID:	244415
PubChem CID:	99350745
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-93.73
Dipole, Da:	3.45
IP(EA), eV:	-8.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)NC[C@@H]2CCN(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations