Geometry & MOs

Info

ID:	123067
PubChem CID:	50831986
Reduced:	O2N3C13H13 (2)
Stoich.:	A2B3C13D13 (2)
Weight, g/mol:	476.160831
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	1.1
IP(EA), eV:	-8.27(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)OC)CC(=O)NC5=CC(=C(C=C5)C)C

DOS

IR

Vibrations