Geometry & MOs

Info

ID:	359755
PubChem CID:	127299702
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	382.167477
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	4.88
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,1-dioxothiolan-3-yl)-1-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)C2=CC3=C(CCCC3)NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations