Geometry & MOs

Info

ID:	360309
PubChem CID:	127300952
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	40.47
Dipole, Da:	2.48
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCC3C4=C(N(N=C4C)C)C)C

DOS

IR

Vibrations