Geometry & MOs

Info

ID:	280132
PubChem CID:	103847103
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	92.05
Dipole, Da:	9.42
IP(EA), eV:	-9.48(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNC2=CC(=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations