Geometry & MOs

Info

ID:	79419
PubChem CID:	49748521
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-76.07
Dipole, Da:	2.02
IP(EA), eV:	-8.15(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C(C)C)C

DOS

IR

Vibrations