Geometry & MOs

Info

ID:	363334
PubChem CID:	127310846
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	29.72
Dipole, Da:	4.85
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopropylpyrimidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations