Geometry & MOs

Info

ID:	59525
PubChem CID:	24875246
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	491.203191
ΔH_f, kcal/mol:	21.13
Dipole, Da:	5.09
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-N-[(3R)-2-oxo-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)CC3=CC4=NC(=O)C5=CC=CC=C5N4N3

DOS

IR

Vibrations