Geometry & MOs

Info

ID:	444042
PubChem CID:	135261143
Reduced:	FO2N6C27H29 (1)
Stoich.:	AB2C6D27E29 (1)
Weight, g/mol:	484.208611
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	3.89
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1S)-1-[[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyrido[3,4-b]pyrazin-5-yl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)C[C@@H](C(=O)N4CCN(CC4)CC5=CC=CC=N5)N)F

DOS

IR

Vibrations