Geometry & MOs

Info

ID:	179422
PubChem CID:	76481778
Reduced:	OBr2N3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	533.335253
ΔH_f, kcal/mol:	44.47
Dipole, Da:	3.34
IP(EA), eV:	-9.14(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-acetyloxy-1,8-dihydroxy-4,4,7,8a-tetramethyl-8-(3-methylpent-4-enoyl)-2,3,6,7-tetrahydronaphthalen-1-yl] 3-piperidin-1-ylpropanoate

Drug info:

PubChemData

Smile

C1CCC2=NC(=NC2C1)C=C3C4=C(C(=CC(=C4)Br)Br)NC3=O

DOS

IR

Vibrations