Geometry & MOs

Info

ID:	370033
PubChem CID:	127337250
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	16.11
Dipole, Da:	4.94
IP(EA), eV:	-8.49(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chlorophenyl)ethyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC(C)C3=CC=CC=N3

DOS

IR

Vibrations