Geometry & MOs

Info

ID:	273729
PubChem CID:	103799436
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-99.53
Dipole, Da:	2.75
IP(EA), eV:	-9.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)/C=C/C1=CC=CC=C1Br

DOS

IR

Vibrations