Geometry & MOs

Info

ID:	369766
PubChem CID:	127335242
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-6.6
Dipole, Da:	5.44
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations