Geometry & MOs

Info

ID:	324154
PubChem CID:	126677040
Reduced:	ON9C22H27 (1)
Stoich.:	AB9C22D27 (1)
Weight, g/mol:	503.268511
ΔH_f, kcal/mol:	114.31
Dipole, Da:	9.3
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[[(Z)-3-amino-2-[[2,6-bis(2,5-dimethylpyrrol-1-yl)pyridin-4-yl]methyl]prop-2-enylidene]amino]methyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CN(C)CCN(C)C(=O)C1=CC=C(C=C1)CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations