Geometry & MOs

Info

ID:	218592
PubChem CID:	85089657
Reduced:	N2O7C26H30 (1)
Stoich.:	A2B7C26D30 (1)
Weight, g/mol:	482.239242
ΔH_f, kcal/mol:	-235.33
Dipole, Da:	2.26
IP(EA), eV:	-9.06(-0.07)
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-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CC2C(C2(C1OC(=O)NC3=CC=CC=C3)OC(=O)C)(C)CO)OC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations