Geometry & MOs

Info

ID:	28838
PubChem CID:	829968
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	306.111676
ΔH_f, kcal/mol:	67.79
Dipole, Da:	10.95
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-([1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CN1C2=CC=CC=C2NC)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations