Geometry & MOs

Info

ID:	158070
PubChem CID:	56462768
Reduced:	N2F3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-263.26
Dipole, Da:	3.19
IP(EA), eV:	-9.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)OC(F)(F)F

DOS

IR

Vibrations