Geometry & MOs

Info

ID:	279150
PubChem CID:	103841687
Reduced:	BrClN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	370.04475
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	2.08
IP(EA), eV:	-9.79(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC)NC(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations