Geometry & MOs

Info

ID:	26381
PubChem CID:	645624
Reduced:	O3N6C27H34 (1)
Stoich.:	A3B6C27D34 (1)
Weight, g/mol:	438.201553
ΔH_f, kcal/mol:	-17.08
Dipole, Da:	10.03
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=NN1C2CCCCC2)N(CC3=CC=CO3)CC4=CC5=C(C=C(C=C5)OC)NC4=O

DOS

IR

Vibrations