Geometry & MOs

Info

ID:	332607
PubChem CID:	127250893
Reduced:	ON6C26H30 (1)
Stoich.:	AB6C26D30 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	46.91
Dipole, Da:	6.98
IP(EA), eV:	-8.7(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)C(=O)C4=NNC5=C4CCC5)CC6=CC=CC=C6

DOS

IR

Vibrations