Geometry & MOs

Info

ID:	360442
PubChem CID:	127301087
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	6.64
IP(EA), eV:	-8.57(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[2-(1-methylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2CCN(C3)C(=O)C4CCCN4C

DOS

IR

Vibrations