Geometry & MOs

Info

ID:	370269
PubChem CID:	127337936
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	4.82
IP(EA), eV:	-8.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCOCC3CC(C)C

DOS

IR

Vibrations