Geometry & MOs

Info

ID:	345379
PubChem CID:	127269679
Reduced:	ClN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	6.99
IP(EA), eV:	-8.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)Cl)OC1

DOS

IR

Vibrations