Geometry & MOs

Info

ID:	192154
PubChem CID:	78233910
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-105.53
Dipole, Da:	2.97
IP(EA), eV:	-9.15(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(6-methyl-8-methylidene-2-oxoquinolin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCC2C(C1)CC(C(=O)N2)CN(CC3=CC=CC=C3Cl)C(=O)N(C)C

DOS

IR

Vibrations