Geometry & MOs

Info

ID:	55985
PubChem CID:	17398206
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	1.08
IP(EA), eV:	-9.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(=C)CN1C(=O)C(NC1=O)(C)C2=CC(=CC=C2)Br

DOS

IR

Vibrations