Geometry & MOs

Info

ID:	360422
PubChem CID:	127301067
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	40.05
Dipole, Da:	4.05
IP(EA), eV:	-8.88(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(2-methyl-6-thiophen-3-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=C(N=C(S3)C)C4=CC=CC=C4

DOS

IR

Vibrations