Geometry & MOs

Info

ID:	161481
PubChem CID:	57391776
Reduced:	FISO2N4C22H26 (1)
Stoich.:	ABCD2E4F22G26 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	-89.95
Dipole, Da:	5.36
IP(EA), eV:	-8.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyltetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)NC1)SC(=C2C(=O)NC[C@H]3CCCN3)NC4=C(C=C(C=C4)I)F)C

DOS

IR

Vibrations