Geometry & MOs

Info

ID:	427817
PubChem CID:	135163614
Reduced:	ClOSN2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	261.15175
ΔH_f, kcal/mol:	-1.27
Dipole, Da:	4.9
IP(EA), eV:	-8.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2,3,4-trimethyl-3,3a-dihydrophenanthro[9,10-c]pyrrole

Drug info:

PubChemData

Smile

CC(C)O/C(=C/N(C)C)/C1=NC2=C(S1)C=CC(=C2)Cl

DOS

IR

Vibrations