Geometry & MOs

Info

ID:	264810
PubChem CID:	103492152
Reduced:	IN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	289.0062
ΔH_f, kcal/mol:	-79.9
Dipole, Da:	2.17
IP(EA), eV:	-9.2(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-[(1-methylpyrazole-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)CNCC(C(=O)OC)I

DOS

IR

Vibrations