Geometry & MOs

Info

ID:	221919
PubChem CID:	85292772
Reduced:	PO5N7C13H24 (1)
Stoich.:	AB5C7D13E24 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-211.7
Dipole, Da:	7.75
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(dimethylamino)phenyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-6-methylpyran-2,4-dione

Drug info:

PubChemData

Smile

CN(C)CCNC1=C2C(=NC(=N1)N)N(C=N2)CC(CO)OCP(=O)(O)O

DOS

IR

Vibrations