Geometry & MOs

Info

ID:	58909
PubChem CID:	24715473
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-106.88
Dipole, Da:	3.18
IP(EA), eV:	-8.27(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methoxypropyl-[(1-methylpyrrol-2-yl)methyl]amino]butan-2-ol

Drug info:

PubChemData

Smile

CCC1C(=O)N(C(S1)C2=C(C=CC(=C2)OC)OC)CCNC

DOS

IR

Vibrations