Geometry & MOs

Info

ID:	187098
PubChem CID:	77530332
Reduced:	NC29H49 (1)
Stoich.:	AB29C49 (1)
Weight, g/mol:	411.386501
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	2.24
IP(EA), eV:	-8.98(1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-9-amine

Drug info:

PubChemData

Smile

CC(=C)C1CCC2C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CCC5(C)C)N)C)C

DOS

IR

Vibrations