Geometry & MOs

Info

ID:	367335
PubChem CID:	127324224
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	387.238273
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	0.83
IP(EA), eV:	-9.04(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea

Drug info:

PubChemData

Smile

C1CC(OC1)C(C2=CC=CC=C2)NC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations