Geometry & MOs

Info

ID:	425892
PubChem CID:	135129476
Reduced:	ClFO2N4H22C24 (1)
Stoich.:	ABC2D4E22F24 (1)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	7.94
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2Z,4E)-3-methoxy-5-(2-methylprop-2-enoyloxy)hepta-2,4-dien-2-yl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CN2C3=C(C(=N2)C4=C(C=C(C=C4)C(=O)OC)F)N=CC=C3)Cl)N(C)C

DOS

IR

Vibrations