Geometry & MOs

Info

ID:	362309
PubChem CID:	127307331
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	371.235497
ΔH_f, kcal/mol:	-114.34
Dipole, Da:	2.99
IP(EA), eV:	-8.31(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1CN2CCC3=CC=CC=C32)C(=O)NCC4COCCO4

DOS

IR

Vibrations