Geometry & MOs

Info

ID:	418631
PubChem CID:	135106470
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-94.03
Dipole, Da:	7.21
IP(EA), eV:	-9.15(-0.3)
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-methylimidazo[1,2-b]pyrazol-7-yl)methanone

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)N(C)CC2=C(ON=C2C)C

DOS

IR

Vibrations