Geometry & MOs

Info

ID:	171823
PubChem CID:	75431248
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	44.61
Dipole, Da:	2.14
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)(CNC1=C2C=NN(C2=NC=N1)C)C3=CC(=CC=C3)OC

DOS

IR

Vibrations