Geometry & MOs

Info

ID:	61428
PubChem CID:	26709227
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	463.200825
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	4.92
IP(EA), eV:	-8.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations