Geometry & MOs

Info

ID:	179877
PubChem CID:	76549004
Reduced:	ON4C11H13 (2)
Stoich.:	AB4C11D13 (2)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	4.78
Dipole, Da:	5.19
IP(EA), eV:	-9.06(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-aminocyclohexyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)C2=CC(=CC=C2)NC3=NC(=NC=C3C(=O)N)NC4CCCCC4N

DOS

IR

Vibrations