Geometry & MOs

Info

ID:	50463
PubChem CID:	12013002
Reduced:	NSeO2C23H33 (1)
Stoich.:	ABC2D23E33 (1)
Weight, g/mol:	305.235479
ΔH_f, kcal/mol:	-90.56
Dipole, Da:	1.89
IP(EA), eV:	-8.22(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3aR,8aS)-N,N-diethyl-8a-methyl-5-oxo-1-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1[C@H]2CC[C@@H]([C@]2(CCCC1=O)C)C[Se]C3=CC=CC=C3

DOS

IR

Vibrations