Geometry & MOs

Info

ID:	150271
PubChem CID:	53789959
Reduced:	O4N5H23C24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	248.250401
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	8.65
IP(EA), eV:	-8.88(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,7R)-2,7-diethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(N1)NC=C2CCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4NCC(=O)O

DOS

IR

Vibrations