Geometry & MOs

Info

ID:	422501
PubChem CID:	135117937
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	566.240831
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	3.64
IP(EA), eV:	-8.2(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14R)-20-[3-(4-chlorophenyl)propanoyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CN3CCN(CC3)CC4=CC=CO4)OCCCO2

DOS

IR

Vibrations