Geometry & MOs

Info

ID:	367316
PubChem CID:	127324100
Reduced:	O2N7C18H29 (1)
Stoich.:	A2B7C18D29 (1)
Weight, g/mol:	359.243359
ΔH_f, kcal/mol:	-56.18
Dipole, Da:	7.27
IP(EA), eV:	-8.31(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C(=O)NCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations