Geometry & MOs

Info

ID:	432299
PubChem CID:	135172432
Reduced:	ION2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	19.6
Dipole, Da:	5.81
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene

Drug info:

PubChemData

Smile

C[C@](C1=CC=CC=C1)([C@@](C)(C2=CC=CC=C2)NC(=O)I)NC

DOS

IR

Vibrations