Geometry & MOs

Info

ID:	142793
PubChem CID:	53091565
Reduced:	N2O5C28H34 (1)
Stoich.:	A2B5C28D34 (1)
Weight, g/mol:	464.194737
ΔH_f, kcal/mol:	-176.11
Dipole, Da:	2.95
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[1,3-benzodioxole-5-carbonyl-[(4-methoxyphenyl)methyl]amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CN(CC2=CC=C(C=C2)OC)C(=O)CCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations