Geometry & MOs

Info

ID:	334537
PubChem CID:	127253212
Reduced:	ClN2O6C21H25 (1)
Stoich.:	AB2C6D21E25 (1)
Weight, g/mol:	458.241687
ΔH_f, kcal/mol:	-224.52
Dipole, Da:	0.93
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)NC(C)C

DOS

IR

Vibrations