Geometry & MOs

Info

ID:	84936
PubChem CID:	49870787
Reduced:	O4N9C30H65 (1)
Stoich.:	A4B9C30D65 (1)
Weight, g/mol:	419.130614
ΔH_f, kcal/mol:	-254.6
Dipole, Da:	4.84
IP(EA), eV:	-8.86(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[[(1S)-1-[3-(3,5-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C(CCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCCN)(C(=O)NCCCCNCCCCN)O)CN

DOS

IR

Vibrations