Geometry & MOs

Info

ID:	309495
PubChem CID:	126546610
Reduced:	IH19C25 (1)
Stoich.:	AB19C25 (1)
Weight, g/mol:	400.251464
ΔH_f, kcal/mol:	91.07
Dipole, Da:	1.85
IP(EA), eV:	-8.69(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16S,21R)-15-ethyl-7-hexyl-16-methyl-4-oxa-1,18-diazahexacyclo[14.4.1.02,14.03,11.05,10.018,21]henicosa-2(14),3(11),5(10),6,8,12,19-heptaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C=CC(=C5)I)C

DOS

IR

Vibrations