Geometry & MOs

Info

ID:	425798
PubChem CID:	135128052
Reduced:	ION4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	65.83
Dipole, Da:	8.6
IP(EA), eV:	-9.28(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-6-methoxy-4-propylidene-2-pyrazin-2-yl-5,6-dihydro-1,3-diazepine

Drug info:

PubChemData

Smile

C1C=NC=C(N1)C2=NC(=O)C3=C(N2)C=CC(=C3)I

DOS

IR

Vibrations