Geometry & MOs

Info

ID:	370396
PubChem CID:	127338442
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	6.44
IP(EA), eV:	-8.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1-thiophen-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NC(=O)C(=C2)C(=O)NC3=NN(C=C3)CCN4CCOCC4

DOS

IR

Vibrations