Geometry & MOs

Info

ID:	333781
PubChem CID:	127252333
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	14.72
Dipole, Da:	5.04
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-[(4-pyridin-2-yl-1,4-oxazepan-6-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CC2CN(CCOC2)CC3=NC=CN3

DOS

IR

Vibrations