Geometry & MOs

Info

ID:	362315
PubChem CID:	127307344
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	295.200825
ΔH_f, kcal/mol:	-167.69
Dipole, Da:	4.73
IP(EA), eV:	-9.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCNC(=O)NC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations