Geometry & MOs

Info

ID:	333297
PubChem CID:	127251849
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-86.93
Dipole, Da:	5.07
IP(EA), eV:	-9.21(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC

DOS

IR

Vibrations