Geometry & MOs

Info

ID:	333401
PubChem CID:	127251953
Reduced:	ON3C12H17 (2)
Stoich.:	AB3C12D17 (2)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-33.82
Dipole, Da:	9.3
IP(EA), eV:	-8.07(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)CCN(C)C4=CC(=CC=C4)OC

DOS

IR

Vibrations