Geometry & MOs

Info

ID:	282315
PubChem CID:	103922066
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-128.99
Dipole, Da:	4.23
IP(EA), eV:	-8.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(2-but-3-enoxyethylamino)ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C1=CC2=C(O1)C(=CC=C2)OC)NCC3(CCOC3)O

DOS

IR

Vibrations