Geometry & MOs

Info

ID:	333861
PubChem CID:	127252413
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-5.84
Dipole, Da:	3.89
IP(EA), eV:	-9.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyrazol-3-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=NC=CN=C3

DOS

IR

Vibrations