Geometry & MOs

Info

ID:	345336
PubChem CID:	127269612
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-88.46
Dipole, Da:	7.7
IP(EA), eV:	-8.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Cl)OC1

DOS

IR

Vibrations