Geometry & MOs

Info

ID:	279422
PubChem CID:	103843889
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	316.07864
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	6.55
IP(EA), eV:	-8.94(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CCC1=C(N(N=C1C)C)C)CO

DOS

IR

Vibrations