Geometry & MOs

Info

ID:	333858
PubChem CID:	127252410
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-15.01
Dipole, Da:	7.03
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations