Geometry & MOs

Info

ID:	370242
PubChem CID:	127337909
Reduced:	ON3C10H17 (2)
Stoich.:	AB3C10D17 (2)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	1.04
IP(EA), eV:	-8.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohex-3-en-1-yl-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1CN(CCN1CCOC)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations