Geometry & MOs

Info

ID:	415468
PubChem CID:	135088463
Reduced:	NO5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-176.13
Dipole, Da:	5.28
IP(EA), eV:	-9.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)C

DOS

IR

Vibrations