Geometry & MOs

Info

ID:	227654
PubChem CID:	87562169
Reduced:	ClF3H10C19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-88.3
Dipole, Da:	4.93
IP(EA), eV:	-8.46(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1-cyanourea

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C=CC(=C4C(F)(F)F)Cl

DOS

IR

Vibrations