Geometry & MOs

Info

ID:	370069
PubChem CID:	127337331
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	4.06
IP(EA), eV:	-8.91(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC(=O)N3CCCC3

DOS

IR

Vibrations