Geometry & MOs

Info

ID:	129616
PubChem CID:	51073313
Reduced:	N3O5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	207.046633
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	9.97
IP(EA), eV:	-9.63(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

DOS

IR

Vibrations