Geometry & MOs

Info

ID:	414865
PubChem CID:	135087837
Reduced:	ClN6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	80.84
Dipole, Da:	3.51
IP(EA), eV:	-9.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NC2CCN(CC2)C3=C(C=CC=N3)C#N)Cl

DOS

IR

Vibrations