Geometry & MOs

Info

ID:	333367
PubChem CID:	127251919
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	448.29506
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	2.37
IP(EA), eV:	-9.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)C(=O)C(C)(C)O

DOS

IR

Vibrations