Geometry & MOs

Info

ID:	192117
PubChem CID:	78230953
Reduced:	SN3O3C29H31 (1)
Stoich.:	AB3C3D29E31 (1)
Weight, g/mol:	460.258674
ΔH_f, kcal/mol:	-13.05
Dipole, Da:	4.59
IP(EA), eV:	-8.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-7-methyl-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)CC3C=C4C=C(C=CC4=NC3=O)C

DOS

IR

Vibrations