Geometry & MOs

Info

ID:	362336
PubChem CID:	127307377
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	311.177982
ΔH_f, kcal/mol:	-103.77
Dipole, Da:	2.38
IP(EA), eV:	-9.06(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)N2CCCC(C2)N3CCCC3=O

DOS

IR

Vibrations