Geometry & MOs

Info

ID:	370145
PubChem CID:	127337518
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	385.166938
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	6.17
IP(EA), eV:	-9.06(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCC4=C3C=CC=C4Cl

DOS

IR

Vibrations