Geometry & MOs

Info

ID:	186138
PubChem CID:	77395982
Reduced:	NO2C26H37 (1)
Stoich.:	AB2C26D37 (1)
Weight, g/mol:	419.282429
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	2.17
IP(EA), eV:	-8.92(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(aminomethyl)-3-hydroxy-4,6b,8a,11,14a-pentamethyl-8,9,10,12,12a,14-hexahydro-7H-picen-2-one

Drug info:

PubChemData

Smile

CC1CC2C(C3CC4=C5CC6C(C5CCC34O2)CC=C7C6(CCC(C7)O)C)NC1

DOS

IR

Vibrations