Geometry & MOs

Info

ID:	414920
PubChem CID:	135087892
Reduced:	ClFN2O3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-124.88
Dipole, Da:	2.39
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCCNC(=O)C(C)OC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations