Geometry & MOs

Info

ID:	137608
PubChem CID:	52233540
Reduced:	NSO4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	-94.0
Dipole, Da:	1.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984315
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-(4-methoxyphenyl)-1,2,4-benzotriazine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]([NH+](C1)C[C@@H](COCC2=CC3=C(C=C2)OCO3)O)C4=CSC=C4

DOS

IR

Vibrations