Geometry & MOs

Info

ID:	205427
PubChem CID:	80099251
Reduced:	ClNC17H26 (1)
Stoich.:	ABC17D26 (1)
Weight, g/mol:	325.14051
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	2.71
IP(EA), eV:	-8.97(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methyl]-3-methyl-N-(2-methylpropyl)pentan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)C(CC1=CC(=CC=C1)Cl)CNC2CC2

DOS

IR

Vibrations