Geometry & MOs

Info

ID:	360997
PubChem CID:	127301861
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-88.21
Dipole, Da:	6.03
IP(EA), eV:	-9.66(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C(=O)C2=CC=C(C=C2)C3=NC(=O)ON3

DOS

IR

Vibrations