Geometry & MOs

Info

ID:	419827
PubChem CID:	135109200
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-71.04
Dipole, Da:	6.44
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations