Geometry & MOs

Info

ID:	137952
PubChem CID:	52290345
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	357.171336
ΔH_f, kcal/mol:	-95.03
Dipole, Da:	5.78
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

DOS

IR

Vibrations