Geometry & MOs

Info

ID:	422216
PubChem CID:	135117423
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	6.12
IP(EA), eV:	-8.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2-phenylmethoxyethyl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4=CN=C(NC4=O)C5CC5)OC

DOS

IR

Vibrations