Geometry & MOs

Info

ID:	333859
PubChem CID:	127252411
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-14.57
Dipole, Da:	5.68
IP(EA), eV:	-9.14(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=NC(=C1)CC2CN(CCOC2)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations