Geometry & MOs

Info

ID:	121944
PubChem CID:	50787450
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-173.84
Dipole, Da:	4.08
IP(EA), eV:	-9.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)CC(=O)NC(C)C3=CC=CC=C3)C

DOS

IR

Vibrations