Geometry & MOs

Info

ID:	174828
PubChem CID:	75820060
Reduced:	O3N4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	2.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.887740
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-4-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)NCC(C2=CC=CO2)[NH+](C)C

DOS

IR

Vibrations