Geometry & MOs

Info

ID:	33030
PubChem CID:	7850417
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	-167.86
Dipole, Da:	11.47
IP(EA), eV:	-8.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations