Geometry & MOs

Info

ID:	416802
PubChem CID:	135090440
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-102.73
Dipole, Da:	3.19
IP(EA), eV:	-8.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[2-(2,4-dimethylphenoxy)ethyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CCC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations