Geometry & MOs

Info

ID:	218576
PubChem CID:	85089638
Reduced:	N3O4H27C29 (1)
Stoich.:	A3B4C27D29 (1)
Weight, g/mol:	481.255226
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	5.15
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(oxan-4-ylamino)-1-propan-2-ylcyclopentanecarbonyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=C(C=CC(=C2)C3CC(=O)N(C3)C4=CC=CC(=C4)C(=O)N)OC5=CC=CC(=C5)C#N

DOS

IR

Vibrations