Geometry & MOs

Info

ID:	422846
PubChem CID:	135118507
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-16.76
Dipole, Da:	2.59
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)C4=NC=CC=N4

DOS

IR

Vibrations