Geometry & MOs

Info

ID:	435390
PubChem CID:	135191350
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	445.257671
ΔH_f, kcal/mol:	-90.02
Dipole, Da:	7.05
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-acetyl-5-hydroxyphenyl)-1-(cyclopropylmethyl)-3-hydroxy-2-methyl-3-propylpiperidin-4-yl]-N-carbamoylacetamide

Drug info:

PubChemData

Smile

C/C=C/C(=NC(=NC)C(=O)N1C[C@H]2CC(C[C@H]2C1)C)C(=O)OC

DOS

IR

Vibrations