Geometry & MOs

Info

ID:	342825
PubChem CID:	127265988
Reduced:	S2O6N8C31H40 (1)
Stoich.:	A2B6C8D31E40 (1)
Weight, g/mol:	334.04292
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	1.64
IP(EA), eV:	-8.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[N+]2C(=N1)N(C(N2)CC3=NN4C(N3C)N=C(C=C4C)C)C)C

DOS

IR

Vibrations