Geometry & MOs

Info

ID:	445565
PubChem CID:	135268121
Reduced:	ClO2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	469.295394
ΔH_f, kcal/mol:	15.67
Dipole, Da:	5.77
IP(EA), eV:	-8.88(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-[4-(cyclohexa-2,4-dien-1-ylmethyl)phthalazin-1-yl]piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CCC43)Cl

DOS

IR

Vibrations