Geometry & MOs

Info

ID:	209464
PubChem CID:	80676400
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	345.01312
ΔH_f, kcal/mol:	-98.65
Dipole, Da:	5.67
IP(EA), eV:	-8.93(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromopropyl)pyrrolidin-1-yl]-(3-chloro-4-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=C1C(=O)N2CCCC2CCCBr)C)C

DOS

IR

Vibrations