Geometry & MOs

Info

ID:	438173
PubChem CID:	135227802
Reduced:	BrN4H13C18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	126.83
Dipole, Da:	3.98
IP(EA), eV:	-9.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyltriazol-4-yl)-N-(2-methoxypropan-2-yl)-2-propan-2-ylaniline

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(C2=CC=CC=N2)N3C=NC4=C3C=C(C=C4)Br

DOS

IR

Vibrations