Geometry & MOs

Info

ID:	299002
PubChem CID:	117666264
Reduced:	ClFON2C22H28 (1)
Stoich.:	ABCD2E22F28 (1)
Weight, g/mol:	393.227709
ΔH_f, kcal/mol:	-108.4
Dipole, Da:	3.64
IP(EA), eV:	-8.9(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-aminocyclopropyl)-cyclopropylmethyl]amino]-4-(1,2,3,4-tetrahydroquinolin-6-ylamino)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NCC2=CC(=CC=C2)C3=C(C=C(C=C3)C(=O)N)F)C.Cl

DOS

IR

Vibrations