Geometry & MOs

Info

ID:	364241
PubChem CID:	127314545
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-0.35
Dipole, Da:	2.38
IP(EA), eV:	-8.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC3=CN=CN=C3C2)C4=NC5=C(C=CC=C5O)C=C4

DOS

IR

Vibrations