Geometry & MOs

Info

ID:	138026
PubChem CID:	52301428
Reduced:	O2N4C16H25 (1)
Stoich.:	A2B4C16D25 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752187
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2CC[NH+](CC2)C)NC(=O)C

DOS

IR

Vibrations