Geometry & MOs

Info

ID:	82457
PubChem CID:	49856054
Reduced:	ClPO4N5H29C30 (1)
Stoich.:	ABC4D5E29F30 (1)
Weight, g/mol:	404.219889
ΔH_f, kcal/mol:	-28.15
Dipole, Da:	5.19
IP(EA), eV:	-8.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexyl 2-[(4-hydroxy-3-methoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CP1(=O)CCN(CC1)CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC=CC=[N+]6[O-])Cl

DOS

IR

Vibrations