Geometry & MOs

Info

ID:	22241
PubChem CID:	596368
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	57.06
Dipole, Da:	5.88
IP(EA), eV:	-8.61(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C)(C)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations