Geometry & MOs

Info

ID:	143052
PubChem CID:	53140231
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	5.84
IP(EA), eV:	-8.35(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone

Drug info:

PubChemData

Smile

COCCN1C=C2CCN(CC3=C2C1=CC=C3)C(=O)C4=CC=CO4

DOS

IR

Vibrations