Geometry & MOs

Info

ID:	367851
PubChem CID:	127325972
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-90.53
Dipole, Da:	3.76
IP(EA), eV:	-8.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations