Geometry & MOs

Info

ID:	42469
PubChem CID:	8149589
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	5.02
IP(EA), eV:	-7.75(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[(2S)-2-(4-piperidin-1-ylanilino)propanoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@@H](C)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations