Geometry & MOs

Info

ID:	430372
PubChem CID:	135170436
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	640.352575
ΔH_f, kcal/mol:	-23.08
Dipole, Da:	2.12
IP(EA), eV:	-9.04(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[[10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]-3-(2-pyridin-2-ylpyridin-4-yl)anthracen-9-yl]methylamino]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C2CCC2)C

DOS

IR

Vibrations