Geometry & MOs

Info

ID:	190084
PubChem CID:	77951475
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	411.171355
ΔH_f, kcal/mol:	-8.0
Dipole, Da:	4.32
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[2-methyl-5-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)C2=CSC=N2)CCC3=CC=C(C=C3)C

DOS

IR

Vibrations