Geometry & MOs

Info

ID:	333336
PubChem CID:	127251888
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	449.279075
ΔH_f, kcal/mol:	-45.17
Dipole, Da:	8.95
IP(EA), eV:	-8.37(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)C(=O)C4=CC5=C(C=C4)N(CCC5)C)C(=N2)NC

DOS

IR

Vibrations