Geometry & MOs

Info

ID:	445585
PubChem CID:	135268324
Reduced:	ClFH16C17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	232.193949
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	3.67
IP(EA), eV:	-9.37(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-propan-2-yl-5,6,7,8-tetrahydrophthalazine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CC2=C(C=CC(=C2)Cl)C(=C)C

DOS

IR

Vibrations