Geometry & MOs

Info

ID:	255578
PubChem CID:	103133120
Reduced:	ClNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-124.7
Dipole, Da:	1.26
IP(EA), eV:	-8.91(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methoxy-1-(1-methylpyrazol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)CNCCOC)Cl

DOS

IR

Vibrations