Geometry & MOs

Info

ID:	327656
PubChem CID:	126690655
Reduced:	F3N4O6H31C37 (1)
Stoich.:	A3B4C6D31E37 (1)
Weight, g/mol:	280.05751
ΔH_f, kcal/mol:	-214.27
Dipole, Da:	7.51
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E)-2-bromopenta-1,3-dienyl]-1-(cyclopropylmethyl)pyrrol-3-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CC2=NC(=NO2)C3=CC=C(C=C3)CN(CC(O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(C=C5)OC)C(F)(F)F

DOS

IR

Vibrations