Geometry & MOs

Info

ID:	312963
PubChem CID:	126610465
Reduced:	SN2H22C37 (1)
Stoich.:	AB2C22D37 (1)
Weight, g/mol:	440.267508
ΔH_f, kcal/mol:	187.67
Dipole, Da:	3.37
IP(EA), eV:	-8.37(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-hexoxycyclohexyl)phenoxy]methyl 3,5-diaminobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)C5=CC6=C(C=C5)SC7=CC=CC=C76)C8=CC=CC(=C8)C#N

DOS

IR

Vibrations