Geometry & MOs

Info

ID:	419812
PubChem CID:	135109132
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	29.93
Dipole, Da:	4.36
IP(EA), eV:	-8.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3C[C@@H]4CN(C[C@H]3COC4)C

DOS

IR

Vibrations