Geometry & MOs

Info

ID:	370555
PubChem CID:	127339690
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-25.32
Dipole, Da:	2.35
IP(EA), eV:	-8.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C(=O)N3CCC(CC3)C4=CN(N=C4)C)C

DOS

IR

Vibrations