Geometry & MOs

Info

ID:	62754
PubChem CID:	26736628
Reduced:	ON4C26H30 (1)
Stoich.:	AB4C26D30 (1)
Weight, g/mol:	384.228717
ΔH_f, kcal/mol:	37.47
Dipole, Da:	4.05
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 5-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations