Geometry & MOs

Info

ID:	345635
PubChem CID:	127269935
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	-117.49
Dipole, Da:	4.45
IP(EA), eV:	-8.85(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylcarbamoylamino)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)NC2CCCNC2=O)N3CCOCC3

DOS

IR

Vibrations