Geometry & MOs

Info

ID:	356930
PubChem CID:	127292538
Reduced:	O2N5C13H25 (1)
Stoich.:	A2B5C13D25 (1)
Weight, g/mol:	344.213616
ΔH_f, kcal/mol:	-92.04
Dipole, Da:	7.64
IP(EA), eV:	-8.59(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations