Geometry & MOs

Info

ID:	415084
PubChem CID:	135088070
Reduced:	FON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	4.34
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)NCCNC(=O)CN(C)CC2=CC=CC=C2F

DOS

IR

Vibrations