Geometry & MOs

Info

ID:	443916
PubChem CID:	135260505
Reduced:	ClN2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	420.274993
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	6.56
IP(EA), eV:	-9.36(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

C1CN(C1)C2CCC(CC2)N.Cl

DOS

IR

Vibrations