Geometry & MOs

Info

ID:	363468
PubChem CID:	127311271
Reduced:	O2N3C19H33 (1)
Stoich.:	A2B3C19D33 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	3.49
IP(EA), eV:	-8.73(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-phenyl-5-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2CCCCC2C(=O)N3CCCC3

DOS

IR

Vibrations