Geometry & MOs

Info

ID:	46548
PubChem CID:	10525119
Reduced:	ClON3C23H32 (1)
Stoich.:	ABC3D23E32 (1)
Weight, g/mol:	401.022163
ΔH_f, kcal/mol:	-53.99
Dipole, Da:	3.82
IP(EA), eV:	-8.35(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations