Geometry & MOs

Info

ID:	415688
PubChem CID:	135088687
Reduced:	N8O8C39H52 (1)
Stoich.:	A8B8C39D52 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-283.53
Dipole, Da:	10.96
IP(EA), eV:	-9.27(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,5-trimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(=O)N[C@@H](C(=O)NCC2=CN(CCCOC3=C(C=CC=C3OC)C(=O)N[C@H](C(=O)NCCC(=O)N1)CC4CCCCC4)N=N2)CC5=CC=CC=C5)O

DOS

IR

Vibrations