Geometry & MOs

Info

ID:	432302
PubChem CID:	135172435
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	57.05
Dipole, Da:	2.55
IP(EA), eV:	-8.23(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16E)-11-methyl-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

Drug info:

PubChemData

Smile

C=C/C=C/1\C=C(\COC/C=C/COCC2=CC(=CC=C2)C3=NC(=NC=C3)N1)/C=C

DOS

IR

Vibrations