Geometry & MOs

Info

ID:	80534
PubChem CID:	49835006
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	490.291706
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	1.49
IP(EA), eV:	-9.28(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](N=C(O1)N)CCCC2=CC=CC=C2

DOS

IR

Vibrations