Geometry & MOs

Info

ID:	171663
PubChem CID:	75411690
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-159.9
Dipole, Da:	7.3
IP(EA), eV:	-9.21(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@@H](CCC[C@H](CC1=O)C(=O)NCCOC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations