Geometry & MOs

Info

ID:	444890
PubChem CID:	135263878
Reduced:	N2O3H26C28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	525.27399
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	8.52
IP(EA), eV:	-9.52(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-N-methoxypropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C(CC(=O)OC)C2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

DOS

IR

Vibrations