Geometry & MOs

Info

ID:	38680
PubChem CID:	8137433
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	373.163771
ΔH_f, kcal/mol:	-209.29
Dipole, Da:	8.93
IP(EA), eV:	-9.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)CC1=C(C=CC(=C1)C(=O)C)OC

DOS

IR

Vibrations