Geometry & MOs

Info

ID:	185095
PubChem CID:	77254648
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	426.386166
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	4.42
IP(EA), eV:	-9.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,6a,6b,8a,11,11,14b-octamethyl-1,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol

Drug info:

PubChemData

Smile

CC(C1=NC2=CC3=C(CC4(C3)C(=O)NC(=O)N4C)C=C2C=C1)O

DOS

IR

Vibrations