Geometry & MOs

Info

ID:	345366
PubChem CID:	127269666
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-92.27
Dipole, Da:	1.59
IP(EA), eV:	-8.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC=C(C=C2)CNC(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations