Geometry & MOs

Info

ID:	333851
PubChem CID:	127252403
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	3.88
IP(EA), eV:	-9.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[[6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCOCC(C2)CC3=CC=CC=N3

DOS

IR

Vibrations