Geometry & MOs

Info

ID:	446620
PubChem CID:	135276438
Reduced:	O4N6C23H34 (1)
Stoich.:	A4B6C23D34 (1)
Weight, g/mol:	448.29506
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	8.66
IP(EA), eV:	-8.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclobutyl-6-N-[2-methanimidoyl-4-methyl-5-[1-(oxolan-3-yl)piperidin-4-yl]phenyl]-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=CC(=C(C=C3N=C2NCCCCNC(=O)CC(C)C)OC)OCCOC

DOS

IR

Vibrations