Geometry & MOs

Info

ID:	43013
PubChem CID:	10317762
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	1.92
IP(EA), eV:	-8.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2,5-dimethoxyphenyl)-3-[4-[[3-(dimethylamino)propylamino]methyl]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC[C@H](COC)N1C2=NC=NC(=C2N=C(C1=O)C)C3=C(C=C(C(=C3)C)OC)C

DOS

IR

Vibrations