Geometry & MOs

Info

ID:	193395
PubChem CID:	78387830
Reduced:	ClO2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	33.58
Dipole, Da:	1.27
IP(EA), eV:	-8.99(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-diazinan-4-ylidene]-3-methoxy-4-propylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=NNC2=CC=CC=C2Cl)C1=O

DOS

IR

Vibrations