Geometry & MOs

Info

ID:	287732
PubChem CID:	104253154
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-73.59
Dipole, Da:	2.61
IP(EA), eV:	-9.17(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxypropyl)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CC2CCCCO2)CNCCOC

DOS

IR

Vibrations