Geometry & MOs

Info

ID:	333402
PubChem CID:	127251954
Reduced:	O2N5C26H35 (1)
Stoich.:	A2B5C26D35 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	-39.93
Dipole, Da:	5.33
IP(EA), eV:	-8.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)C)C3CCN(C3)C(=O)C4(CCCCC4)OC5=CC=CC=C5

DOS

IR

Vibrations