Geometry & MOs

Info

ID:	190961
PubChem CID:	78086854
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-90.29
Dipole, Da:	3.99
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(dimethylamino)methyl]furan-2-yl]-[3-(hydroxymethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC1C(CNN1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations