Geometry & MOs

Info

ID:	83635
PubChem CID:	49859424
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-126.16
Dipole, Da:	1.72
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bR,9S,9aS)-7-methoxy-9a-methyl-6-oxo-N-prop-2-ynyl-4b,5,9,10-tetrahydrobenzo[a]azulene-9-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C(=O)NC1C2=CC=CC=C2)CCOC=C

DOS

IR

Vibrations