Geometry & MOs

Info

ID:	256545
PubChem CID:	103139841
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	5.55
IP(EA), eV:	-8.17(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C2C=NC=CC2=C1N)OCCCO

DOS

IR

Vibrations