Geometry & MOs

Info

ID:	290018
PubChem CID:	104397682
Reduced:	ClOSN2C11H19 (1)
Stoich.:	ABCD2E11F19 (1)
Weight, g/mol:	212.163711
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	0.92
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1H-imidazol-5-ylmethyl)-1-N-(2-methoxyethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CNCCOC)NCC1=CC=C(S1)Cl

DOS

IR

Vibrations