Geometry & MOs

Info

ID:	361717
PubChem CID:	127304532
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	-134.67
Dipole, Da:	2.38
IP(EA), eV:	-9.12(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-oxopropyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCCC(C1)C(=O)N2CCOC(C2)CN3C(=CC(=N3)C)C

DOS

IR

Vibrations