Geometry & MOs

Info

ID:	415432
PubChem CID:	135088426
Reduced:	FN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	286.190595
ΔH_f, kcal/mol:	-157.85
Dipole, Da:	4.52
IP(EA), eV:	-9.3(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)CCC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations