Geometry & MOs

Info

ID:	192748
PubChem CID:	78307854
Reduced:	O4N7C27H29 (1)
Stoich.:	A4B7C27D29 (1)
Weight, g/mol:	401.213698
ΔH_f, kcal/mol:	24.45
Dipole, Da:	5.23
IP(EA), eV:	-9.06(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(3-ethoxypropyl)-1-[(7-methyl-2-oxo-3H-quinolin-3-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C2=NC(=O)C(=C(C3=NN=NN3CC4CCCO4)N5CCN(CC5)C(=O)C6=CC=CO6)C=C12)C

DOS

IR

Vibrations