Geometry & MOs

Info

ID:	251942
PubChem CID:	103108008
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	199.095691
ΔH_f, kcal/mol:	-41.95
Dipole, Da:	3.48
IP(EA), eV:	-8.82(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-methoxypropan-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=C(C=C(C=C1)C)Br

DOS

IR

Vibrations