Geometry & MOs

Info

ID:	319624
PubChem CID:	126656840
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	424.283826
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	0.67
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,15R,16S,17S)-N-[2-(dimethylamino)ethyl]-17-ethyl-7-hydroxy-16-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC1=CC2=C(C=C1)OCC=N2

DOS

IR

Vibrations