Geometry & MOs

Info

ID:	423508
PubChem CID:	135119633
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-110.54
Dipole, Da:	1.54
IP(EA), eV:	-9.04(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(C2CC2)C(=O)[C@@H]3CC[C@@H]([C@@H](C3)OC)O

DOS

IR

Vibrations