Geometry & MOs

Info

ID:	84399
PubChem CID:	49866226
Reduced:	FN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	301.226646
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	2.96
IP(EA), eV:	-7.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)-N,N-dimethyl-3-(5-methyltetrazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CO)C(=O)NC1=CC2=C(C=C1)N(C=C2CC3=NC(=CC=C3)C4=C(C=C(C=C4)F)OC)C

DOS

IR

Vibrations