Geometry & MOs

Info

ID:	194651
PubChem CID:	78568102
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-104.47
Dipole, Da:	3.49
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxyethyl)-3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CON=CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations