Geometry & MOs

Info

ID:	333281
PubChem CID:	127251833
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-40.88
Dipole, Da:	6.91
IP(EA), eV:	-8.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)C4=CC=C(C=C4)N5CCCC5)NC

DOS

IR

Vibrations