Geometry & MOs

Info

ID:	363268
PubChem CID:	127310409
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	351.18821
ΔH_f, kcal/mol:	-59.82
Dipole, Da:	1.94
IP(EA), eV:	-9.01(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CC(C)NC(=O)N2CCOC(C2)CN3C=C(C=N3)C)C

DOS

IR

Vibrations