Geometry & MOs

Info

ID:	347236
PubChem CID:	127271777
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	2.89
Dipole, Da:	5.38
IP(EA), eV:	-8.65(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCCN3CCC4=C(C3)C=CS4

DOS

IR

Vibrations