Geometry & MOs

Info

ID:	325304
PubChem CID:	126682569
Reduced:	O2C19H34 (1)
Stoich.:	A2B19C34 (1)
Weight, g/mol:	168.162649
ΔH_f, kcal/mol:	-78.24
Dipole, Da:	1.43
IP(EA), eV:	-10.03(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrimido[1,2-a]azepine

Drug info:

PubChemData

Smile

CC(C)(C)CCCCCCCC1C(O1)C/C=C\CC2CO2

DOS

IR

Vibrations