Geometry & MOs

Info

ID:	415350
PubChem CID:	135088344
Reduced:	ON2C22H32 (1)
Stoich.:	AB2C22D32 (1)
Weight, g/mol:	546.295454
ΔH_f, kcal/mol:	-34.24
Dipole, Da:	3.44
IP(EA), eV:	-7.92(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-[(3S)-3-phenylbutanoyl]-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

CC1=CC2(CCN(CC2)C3CCN(CC3)C4=CC=C(C=C4)C)OCC1

DOS

IR

Vibrations