Geometry & MOs

Info

ID:	258272
PubChem CID:	103152471
Reduced:	ON3C13H29 (1)
Stoich.:	AB3C13D29 (1)
Weight, g/mol:	304.00587
ΔH_f, kcal/mol:	-67.48
Dipole, Da:	2.28
IP(EA), eV:	-8.28(2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCC(C)N1CCN(CC1)CCC(CN)OC

DOS

IR

Vibrations