Geometry & MOs

Info

ID:	270998
PubChem CID:	103639363
Reduced:	ClO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	253.134575
ΔH_f, kcal/mol:	34.07
Dipole, Da:	4.62
IP(EA), eV:	-9.73(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methyl-N-[(3-methylcyclohexyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)Cl)NCCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations