Geometry & MOs

Info

ID:	76339
PubChem CID:	48424798
Reduced:	F2N2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	325.14895
ΔH_f, kcal/mol:	-239.54
Dipole, Da:	2.42
IP(EA), eV:	-9.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[7-(difluoromethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)OC(F)F

DOS

IR

Vibrations