Geometry & MOs

Info

ID:	415829
PubChem CID:	135088830
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-156.7
Dipole, Da:	6.59
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1C)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC)C

DOS

IR

Vibrations