Geometry & MOs

Info

ID:	333862
PubChem CID:	127252414
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-14.14
Dipole, Da:	1.39
IP(EA), eV:	-9.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazol-2-yl)-[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC2CN(CCOC2)C(=O)C3=CC=NN3C

DOS

IR

Vibrations