Geometry & MOs

Info

ID:	425735
PubChem CID:	135127693
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	446.212947
ΔH_f, kcal/mol:	8.35
Dipole, Da:	0.92
IP(EA), eV:	-7.66(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(Z)-2-amino-3-[amino-[2-(2,4-difluorophenyl)-3-[ethenyl(methyl)amino]-2-hydroxypropyl]amino]prop-2-enoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=C(C(=C1C)N)C=C)N

DOS

IR

Vibrations