Geometry & MOs

Info

ID:	368853
PubChem CID:	127330813
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	5.04
IP(EA), eV:	-8.57(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CCC1CN(CC(O1)C)C(=O)NC(C)CN2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations