Geometry & MOs

Info

ID:	185231
PubChem CID:	77272703
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	481.161326
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	3.57
IP(EA), eV:	-8.87(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-difluorophenyl)-(2-oxocyclobutyl)methyl]-8-fluoro-3-methyl-2-(1,3-oxazol-2-ylmethyl)-1H-isoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C3=C(C(=NO3)C(=O)N)N=C2CO)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations