Geometry & MOs

Info

ID:	154572
PubChem CID:	56314037
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	381.196489
ΔH_f, kcal/mol:	-120.71
Dipole, Da:	3.81
IP(EA), eV:	-8.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(5-phenyltetrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)CC2=COC3=C2C=CC(=C3)OC

DOS

IR

Vibrations