Geometry & MOs

Info

ID:	357530
PubChem CID:	127294175
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	3.47
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations