Geometry & MOs

Info

ID:	336963
PubChem CID:	127256118
Reduced:	BrN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	958.455553
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	4.71
IP(EA), eV:	-10.06(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium;sulfate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C2C=CC=NC2=N1)Br

DOS

IR

Vibrations