Geometry & MOs

Info

ID:	415667
PubChem CID:	135088666
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	5.59
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations