Geometry & MOs

Info

ID:	421210
PubChem CID:	135115563
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-97.72
Dipole, Da:	2.54
IP(EA), eV:	-8.26(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=C(C=C(C=C3)OC)C)O

DOS

IR

Vibrations