Geometry & MOs

Info

ID:	333363
PubChem CID:	127251915
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	448.29506
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	4.17
IP(EA), eV:	-8.81(-0.63)
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]-[4-(4-methylpiperidin-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C2=CC=CC=C12)CC(=O)N3CCC(C3)C4=NC5=C(CCN(C5)C)C(=N4)NC

DOS

IR

Vibrations