Geometry & MOs

Info

ID:	395909
PubChem CID:	135026867
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	3.55
IP(EA), eV:	-8.92(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R,11R)-16-methoxy-10-(2-methoxyphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene

Drug info:

PubChemData

Smile

CCCCC1=CC(N(O1)C(=O)OCC2=CC=CC=C2)(CC)CC

DOS

IR

Vibrations