Geometry & MOs

Info

ID:	332608
PubChem CID:	127250894
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	447.209282
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	8.63
IP(EA), eV:	-8.88(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)C(=O)C4=C(N=C(O4)C)C)CC5=CC=CC=C5

DOS

IR

Vibrations