Geometry & MOs

Info

ID:	369726
PubChem CID:	127335156
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	361.16848
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	4.55
IP(EA), eV:	-8.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3(CCOCC3)C4=CC=CC=C4C

DOS

IR

Vibrations