Geometry & MOs

Info

ID:	144438
PubChem CID:	53368766
Reduced:	O2N6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	36.92
Dipole, Da:	9.94
IP(EA), eV:	-9.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(5-methyltetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N)N3C=NN=N3)C

DOS

IR

Vibrations