Geometry & MOs

Info

ID:	179915
PubChem CID:	76554958
Reduced:	FO4N6C13H17 (1)
Stoich.:	AB4C6D13E17 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-158.12
Dipole, Da:	2.4
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethoxy)-N-[3-[1-(3-hydroxypyrrolidin-1-yl)ethyl]-8-methylquinolin-7-yl]benzamide

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(=O)NCCCF)O)O)N

DOS

IR

Vibrations