Geometry & MOs

Info

ID:	222013
PubChem CID:	85293363
Reduced:	O3N7C23H35 (1)
Stoich.:	A3B7C23D35 (1)
Weight, g/mol:	456.396731
ΔH_f, kcal/mol:	-77.3
Dipole, Da:	3.41
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(1-hydroxyethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-ol

Drug info:

PubChemData

Smile

CCCCOC(C)C1=NC=CC(=N1)N2C(CN(CC2C)C3=NC(=NC(=N3)COC(=O)C)C)C

DOS

IR

Vibrations