Geometry & MOs

Info

ID:	209465
PubChem CID:	80676769
Reduced:	BrClNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	312.01095
ΔH_f, kcal/mol:	-90.36
Dipole, Da:	5.05
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)O)Cl)CCCBr

DOS

IR

Vibrations