Geometry & MOs

Info

ID:	196692
PubChem CID:	78865498
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-141.54
Dipole, Da:	9.24
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CN2CCCCC2=O)Cl

DOS

IR

Vibrations