Geometry & MOs

Info

ID:	423137
PubChem CID:	135118986
Reduced:	FOSN5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	277.109423
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	4.45
IP(EA), eV:	-9.05(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN2C(=O)C=C(N=C2S1)CN(C)CCC3=NC4=C(N3)C=C(C=C4)F

DOS

IR

Vibrations