Geometry & MOs

Info

ID:	209438
PubChem CID:	80672935
Reduced:	BrN2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	313.11536
ΔH_f, kcal/mol:	37.33
Dipole, Da:	3.36
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-[(5-ethyl-2-methylpyrazol-3-yl)methyl]cyclopentanamine

Drug info:

PubChemData

Smile

C1CCC(C1)N(CCBr)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations