Geometry & MOs

Info

ID:	333275
PubChem CID:	127251827
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	4.46
IP(EA), eV:	-9.01(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CCC(C3)C4=NC5=C(CN(CC5)C(=O)C)C(=N4)NC

DOS

IR

Vibrations