Geometry & MOs

Info

ID:	193920
PubChem CID:	78456645
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-126.77
Dipole, Da:	11.24
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C(=O)C)C

DOS

IR

Vibrations