Geometry & MOs

Info

ID:	151667
PubChem CID:	56261042
Reduced:	ClNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	462.237939
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	3.3
IP(EA), eV:	-9.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one

Drug info:

PubChemData

Smile

CCCC(C)CC(=O)NC1CCC2=C1C=CC(=C2)Cl

DOS

IR

Vibrations