Geometry & MOs

Info

ID:	414501
PubChem CID:	135087460
Reduced:	OSN4C16H24 (1)
Stoich.:	ABC4D16E24 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	4.24
IP(EA), eV:	-8.82(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CCC2=CSC=C2

DOS

IR

Vibrations