Geometry & MOs

Info

ID:	438762
PubChem CID:	135228516
Reduced:	O2N3C27H37 (1)
Stoich.:	A2B3C27D37 (1)
Weight, g/mol:	223.204848
ΔH_f, kcal/mol:	-11.48
Dipole, Da:	2.67
IP(EA), eV:	-7.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-tri(propan-2-yl)-2H-pyrimidin-1-amine

Drug info:

PubChemData

Smile

CCOC(=C)/C(=C/C)/C(=C)/C=C\1/C2=CC(=C(C=C2CC(N1)C(C)(C)C)/C(=C/N)/C=N)OC

DOS

IR

Vibrations