Geometry & MOs

Info

ID:	342302
PubChem CID:	127265079
Reduced:	FN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	-112.44
Dipole, Da:	5.49
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)urea

Drug info:

PubChemData

Smile

CCN(C(CC1=CC=C(C=C1)F)C(C)C)C(=O)C2=CC(=O)NC=C2

DOS

IR

Vibrations