Geometry & MOs

Info

ID:	185726
PubChem CID:	77340534
Reduced:	ClFO4N6H20C21 (1)
Stoich.:	ABC4D6E20F21 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-73.73
Dipole, Da:	4.92
IP(EA), eV:	-9.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptyl 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C1=NC(=NO1)C2=C3C4CCN4C(=O)C5=C(N3C=N2)C=CC(=C5Cl)F)N

DOS

IR

Vibrations