Geometry & MOs

Info

ID:	330375
PubChem CID:	127247362
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	42.81
Dipole, Da:	5.22
IP(EA), eV:	-9.27(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=NN12)C(=O)N3CCCCC3C4=C(C=NN4)C)C

DOS

IR

Vibrations