Geometry & MOs

Info

ID:	287730
PubChem CID:	104253152
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	3.44
IP(EA), eV:	-9.18(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[6-methyl-2-(oxan-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CC2CCCCO2)CNC(C)(C)C

DOS

IR

Vibrations