Geometry & MOs

Info

ID:	370265
PubChem CID:	127337932
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	1.26
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1COC(CN1C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C)C

DOS

IR

Vibrations