Geometry & MOs

Info

ID:	417023
PubChem CID:	135091104
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	374.150954
ΔH_f, kcal/mol:	-204.11
Dipole, Da:	1.63
IP(EA), eV:	-8.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-N-methylcyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CNC(=O)CCC(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC

DOS

IR

Vibrations