Geometry & MOs

Info

ID:	218265
PubChem CID:	85089105
Reduced:	NO5C26H37 (1)
Stoich.:	AB5C26D37 (1)
Weight, g/mol:	443.37633
ΔH_f, kcal/mol:	-151.86
Dipole, Da:	3.99
IP(EA), eV:	-9.21(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropyl)-1,4a,9,10-tetramethyl-2-propan-2-yl-3,4,4b,5,6,7,8,9,10,10a,12,12a-dodecahydro-2H-chrysene-6a-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCON=C(CCCCCC)C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)OC

DOS

IR

Vibrations