Geometry & MOs

Info

ID:	260114
PubChem CID:	103181634
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	2.22
IP(EA), eV:	-8.74(2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CC(CCN1CCOCCCOC)N

DOS

IR

Vibrations