Geometry & MOs

Info

ID:	299508
PubChem CID:	117687119
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	272.138559
ΔH_f, kcal/mol:	-0.06
Dipole, Da:	11.01
IP(EA), eV:	-8.49(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperazin-1-yl)-[4-(5H-tetrazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCN(CC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations