Geometry & MOs

Info

ID:	187033
PubChem CID:	77522382
Reduced:	ClFNO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-67.11
Dipole, Da:	5.32
IP(EA), eV:	-9.61(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycyclohexyl) 4-[3-[(2,5-diaminophenyl)methoxy]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C2=NC(=O)C(=C(C12)F)O)Cl

DOS

IR

Vibrations