Geometry & MOs

Info

ID:	140018
PubChem CID:	52631290
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-109.73
Dipole, Da:	3.59
IP(EA), eV:	-8.59(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2,5-dimethyl-N-[[3-[[(2R)-2-methylbutanoyl]amino]phenyl]methyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)CNC(=O)CC2=CC(=C(C=C2)C)OC

DOS

IR

Vibrations