Geometry & MOs

Info

ID:	332606
PubChem CID:	127250892
Reduced:	ON6C26H32 (1)
Stoich.:	AB6C26D32 (1)
Weight, g/mol:	442.24811
ΔH_f, kcal/mol:	19.44
Dipole, Da:	8.03
IP(EA), eV:	-8.93(-0.25)
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]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=NC(=N1)C3CCN(C3)C(=O)CCN4C=CN=C4C)CC5=CC=CC=C5

DOS

IR

Vibrations