Geometry & MOs

Info

ID:	252107
PubChem CID:	103109182
Reduced:	ClO2N5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	1.29
IP(EA), eV:	-9.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC2=CC=NN2C)CCl

DOS

IR

Vibrations