Geometry & MOs

Info

ID:	370376
PubChem CID:	127338368
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	7.19
IP(EA), eV:	-8.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NC(=O)C(=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations