Geometry & MOs

Info

ID:	445567
PubChem CID:	135268144
Reduced:	ON7C26H31 (1)
Stoich.:	AB7C26D31 (1)
Weight, g/mol:	482.27941
ΔH_f, kcal/mol:	79.62
Dipole, Da:	5.84
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-[4-[4-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridin-3-yl]methyl]azetidin-3-ol

Drug info:

PubChemData

Smile

CC(CN(C)C)(C1=CN=C(C=N1)NCCNC2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4)O

DOS

IR

Vibrations