Geometry & MOs

Info

ID:	435394
PubChem CID:	135191354
Reduced:	OF3N3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	457.257671
ΔH_f, kcal/mol:	-162.45
Dipole, Da:	7.51
IP(EA), eV:	-9.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a-(2-acetyl-5-methoxyphenyl)-N-carbamoyl-2-(cyclopropylmethyl)-8a-hydroxy-1-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1C3=CC=CC=C3C(F)(F)F)C(C4=CN=CN4)O

DOS

IR

Vibrations