Geometry & MOs

Info

ID:	177604
PubChem CID:	76203823
Reduced:	BrNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	3.33
IP(EA), eV:	-9.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(2-methylpyrazol-3-yl)prop-2-enoyl-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)O)C(=O)C=CC2=CC=C(C=C2)Br

DOS

IR

Vibrations