Geometry & MOs

Info

ID:	122904
PubChem CID:	50826180
Reduced:	O4N6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	484.208611
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	4.75
IP(EA), eV:	-9.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=NC(=NC=C3C2=O)N4CCCC4

DOS

IR

Vibrations