Geometry & MOs

Info

ID:	443399
PubChem CID:	135258860
Reduced:	IN2C5H13 (1)
Stoich.:	AB2C5D13 (1)
Weight, g/mol:	725.246713
ΔH_f, kcal/mol:	12.57
Dipole, Da:	4.22
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(2,6-diphenylpyrimidin-4-yl)spiro[10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene-24,9'-fluorene]

Drug info:

PubChemData

Smile

CC(C)C(NNC)I

DOS

IR

Vibrations