Geometry & MOs

Info

ID:	327549
PubChem CID:	126690307
Reduced:	IN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	213.030504
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	4.85
IP(EA), eV:	-9.35(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4H-pyrrolo[2,3-d]imidazol-6-yl)methyl acetate

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C(=O)O)NCI

DOS

IR

Vibrations