Geometry & MOs

Info

ID:	363366
PubChem CID:	127310903
Reduced:	OSN7C18H21 (1)
Stoich.:	ABC7D18E21 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	97.14
Dipole, Da:	4.53
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopropylpyrimidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations