Geometry & MOs

Info

ID:	370301
PubChem CID:	127337978
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	2.97
Dipole, Da:	7.03
IP(EA), eV:	-8.43(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC(C3)C4=CC=CC=C4C

DOS

IR

Vibrations