Geometry & MOs

Info

ID:	304551
PubChem CID:	124756264
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	10.09
Dipole, Da:	5.32
IP(EA), eV:	-8.84(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyltetrazol-1-yl)-N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(CCN1CCC2=CNN=C2)CC3=CC=CC(=C3)C

DOS

IR

Vibrations