Geometry & MOs

Info

ID:	364146
PubChem CID:	127314322
Reduced:	BrN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	3.43
IP(EA), eV:	-9.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NCC2(CCOCC2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations