Geometry & MOs

Info

ID:	347140
PubChem CID:	127271644
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	5.21
IP(EA), eV:	-9.04(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations