Geometry & MOs

Info

ID:	29476
PubChem CID:	834081
Reduced:	BrNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	209.097127
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	3.68
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]cyclopentanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)Br

DOS

IR

Vibrations