Geometry & MOs

Info

ID:	371507
PubChem CID:	127346731
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	358.156039
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	5.69
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCC(C3)CN4CCCC4)C

DOS

IR

Vibrations