Geometry & MOs

Info

ID:	362822
PubChem CID:	127309651
Reduced:	N3O3C16H31 (1)
Stoich.:	A3B3C16D31 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-153.37
Dipole, Da:	3.66
IP(EA), eV:	-8.82(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CN(CC(O1)C)C(=O)NCC2CCCN2CCOC

DOS

IR

Vibrations