Geometry & MOs

Info

ID:	421049
PubChem CID:	135115286
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-44.45
Dipole, Da:	2.87
IP(EA), eV:	-8.59(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CC2=CC=CC=C2OC

DOS

IR

Vibrations