Geometry & MOs

Info

ID:	186251
PubChem CID:	77411542
Reduced:	BrN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	490.187715
ΔH_f, kcal/mol:	-135.16
Dipole, Da:	9.01
IP(EA), eV:	-8.46(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=C2C(=O)N3C(CCOC3CN2C=C(C1=O)Br)C

DOS

IR

Vibrations