Geometry & MOs

Info

ID:	435400
PubChem CID:	135191362
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	461.288971
ΔH_f, kcal/mol:	-201.36
Dipole, Da:	5.07
IP(EA), eV:	-8.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-2-[1-(cyclopropylmethyl)-3-hydroxy-4-[2-(1-hydroxyethyl)-5-methoxyphenyl]-2-methyl-3-propylpiperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1(C2C(=O)C3=C(C1(CCN2C)CC(=O)NC(=O)N)C=C(C=C3)OC)O

DOS

IR

Vibrations