Geometry & MOs

Info

ID:	185521
PubChem CID:	77309477
Reduced:	BrFN3O4C29H35 (1)
Stoich.:	ABC3D4E29F35 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-193.72
Dipole, Da:	4.61
IP(EA), eV:	-8.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C=CC=C2F)CCCOC)C3CCCN(C3)C(=O)CC(CC4=CC=C(C=C4)Br)NC(=O)O

DOS

IR

Vibrations