Geometry & MOs

Info

ID:	281086
PubChem CID:	103852851
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-18.88
Dipole, Da:	5.21
IP(EA), eV:	-9.16(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-but-3-enoxyethyl)-1-(4-chlorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1[N+](=O)[O-])NCCOCCC=C

DOS

IR

Vibrations