Geometry & MOs

Info

ID:	200382
PubChem CID:	79380606
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	274.03169
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	0.81
IP(EA), eV:	-9.17(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC(=O)N(C)CC(C)(C)O

DOS

IR

Vibrations