Geometry & MOs

Info

ID:	25617
PubChem CID:	627370
Reduced:	IO3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	302.178299
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	4.84
IP(EA), eV:	-9.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-20-azatetracyclo[9.6.2.14,8.012,17]icosa-1(18),4,6,8(20),11(19),12,14,16-octaen-6-amine

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)I)C(=O)O

DOS

IR

Vibrations