Geometry & MOs

Info

ID:	43132
PubChem CID:	10318874
Reduced:	NO3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-47.73
Dipole, Da:	2.56
IP(EA), eV:	-8.15(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[(dimethylamino)methyl]-4-methoxyphenyl]-1-[3-(pyridin-3-ylmethylamino)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)OC)CCCC4=CC=CC=C4

DOS

IR

Vibrations