Geometry & MOs

Info

ID:	362319
PubChem CID:	127307348
Reduced:	F2O2N4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	-172.64
Dipole, Da:	7.67
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)NC(=O)NC2CCCN(C2)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations