Geometry & MOs

Info

ID:	369793
PubChem CID:	127335297
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	5.75
IP(EA), eV:	-8.49(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)COC3CCCC3

DOS

IR

Vibrations