Geometry & MOs

Info

ID:	448644
PubChem CID:	135292440
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-36.52
Dipole, Da:	1.93
IP(EA), eV:	-8.67(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(5-formyl-1-methylpyrrol-3-yl)-2-oxoacetamide

Drug info:

PubChemData

Smile

CC(C)(C)CC1=CC(=NC(=N1)N(C)C)OC

DOS

IR

Vibrations