Geometry & MOs

Info

ID:	395759
PubChem CID:	135026472
Reduced:	ON2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	350.235814
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	2.73
IP(EA), eV:	-8.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13R,14S)-3,3-dimethyl-14,16-di(propan-2-yl)-4,12-diazatetracyclo[11.4.0.01,5.06,11]heptadeca-5,7,9,11,16-pentaen-15-one

Drug info:

PubChemData

Smile

CC(C)C1=CC2(CC(N=C2C3=CC=CC=C3N)(C)C)C=C(C1=O)C(C)C

DOS

IR

Vibrations