Geometry & MOs

Info

ID:	333855
PubChem CID:	127252407
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	6.26
IP(EA), eV:	-9.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC2CN(CCOC2)CC(=O)N(C)C

DOS

IR

Vibrations