Geometry & MOs

Info

ID:	370293
PubChem CID:	127337964
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	8.88
Dipole, Da:	2.38
IP(EA), eV:	-8.59(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1-(1-pyridin-3-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations