Geometry & MOs

Info

ID:	196481
PubChem CID:	78836715
Reduced:	NO3H23C25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	425.125467
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	3.62
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(C=C2)O)C(=O)/C=C/C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations