Geometry & MOs

Info

ID:	153806
PubChem CID:	56313120
Reduced:	N2O3F4C23H28 (1)
Stoich.:	A2B3C4D23E28 (1)
Weight, g/mol:	443.237291
ΔH_f, kcal/mol:	-290.84
Dipole, Da:	4.61
IP(EA), eV:	-8.62(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=C(C=C1)F)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations