Geometry & MOs

Info

ID:	420426
PubChem CID:	135113059
Reduced:	N5O7C31H41 (1)
Stoich.:	A5B7C31D41 (1)
Weight, g/mol:	388.215078
ΔH_f, kcal/mol:	-194.84
Dipole, Da:	1.66
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-3-methyl-3-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=C(C(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations