Geometry & MOs

Info

ID:	217033
PubChem CID:	85087143
Reduced:	ClNO2H16C19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	325.93401
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	7.21
IP(EA), eV:	-8.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-3-(1-bromopentylidene)oxolan-2-one

Drug info:

PubChemData

Smile

CC(=CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations