Geometry & MOs

Info

ID:	370273
PubChem CID:	127337940
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-61.86
Dipole, Da:	4.9
IP(EA), eV:	-8.52(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methylphenyl)propan-2-yl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC[C@H]3CO

DOS

IR

Vibrations