Geometry & MOs

Info

ID:	370260
PubChem CID:	127337927
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-23.1
Dipole, Da:	4.5
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCOC(C3)C4=CC=CC=C4

DOS

IR

Vibrations